CID 159322

2-methoxyethyl nonanoate

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CCCCCCCCC(=O)OCCOC

InChI

InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)15-11-10-14-2/h3-11H2,1-2H3

InChIKey

SWYNLZZOIDBOEM-UHFFFAOYSA-N

Compound name

2-methoxyethyl nonanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 216.17255 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.17983	154.6
[M+Na]+	239.16177	159.4
[M-H]-	215.16527	153.9
[M+NH4]+	234.20637	173.4
[M+K]+	255.13571	158.9
[M+H-H2O]+	199.16981	148.8
[M+HCOO]-	261.17075	176.4
[M+CH3COO]-	275.18640	190.5
[M+Na-2H]-	237.14722	157.2
[M]+	216.17200	161.1
[M]-	216.17310	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe